CID 570612

Benzene, (1-methylhexadecyl)-

Structural Information

Molecular Formula
C23H40
SMILES
CCCCCCCCCCCCCCCC(C)C1=CC=CC=C1
InChI
InChI=1S/C23H40/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22(2)23-20-17-15-18-21-23/h15,17-18,20-22H,3-14,16,19H2,1-2H3
InChIKey
XTVPYUSFCLUNOT-UHFFFAOYSA-N
Compound name
heptadecan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

316.313 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.32028 188.9
[M+Na]+ 339.30222 190.0
[M-H]- 315.30572 189.7
[M+NH4]+ 334.34682 203.3
[M+K]+ 355.27616 185.0
[M+H-H2O]+ 299.31026 180.6
[M+HCOO]- 361.31120 207.6
[M+CH3COO]- 375.32685 214.4
[M+Na-2H]- 337.28767 188.1
[M]+ 316.31245 193.2
[M]- 316.31355 193.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe